3-tert-butyl-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1-methylpyrazole-5-carboxamide

C16H26N6O — CID 95744342

IUPAC3-tert-butyl-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1-methylpyrazole-5-carboxamide
SMILESCN(C)CCn1cc(NC(=O)c2cc(C(C)(C)C)nn2C)cn1
InChIInChI=1S/C16H26N6O/c1-16(2,3)14-9-13(21(6)19-14)15(23)18-12-10-17-22(11-12)8-7-20(4)5/h9-11H,7-8H2,1-6H3,(H,18,23)
InChIKeyNPGDXOBAEILDDW-UHFFFAOYSA-N
MW318.43 g/mol
LogP1.73
Rot. Bonds5

About 3-tert-butyl-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1-methylpyrazole-5-carboxamide

3-tert-butyl-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1-methylpyrazole-5-carboxamide (PubChem CID 95744342) has the molecular formula C16H26N6O and a molecular weight of 318.43 g/mol. Its IUPAC name is 3-tert-butyl-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1-methylpyrazole-5-carboxamide
PubChem CID95744342
Molecular FormulaC16H26N6O
Molecular Weight318.43 g/mol
Exact Mass318.22
IUPAC Name3-tert-butyl-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1-methylpyrazole-5-carboxamide
SMILESCN(C)CCn1cc(NC(=O)c2cc(C(C)(C)C)nn2C)cn1
InChIInChI=1S/C16H26N6O/c1-16(2,3)14-9-13(21(6)19-14)15(23)18-12-10-17-22(11-12)8-7-20(4)5/h9-11H,7-8H2,1-6H3,(H,18,23)
InChIKeyNPGDXOBAEILDDW-UHFFFAOYSA-N
XLogP1.73
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.43
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate
CID 3868399
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-methylpyrazole-3-carboxamide
CID 95744231
2-[4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120697436
3,4-dichloro-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]benzamide
CID 49088730
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3,4-difluorobenzamide
CID 49092977
2,4-dichloro-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]benzamide
CID 49088727
4-bromo-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-5-methoxy-1-methylpyrazole-3-carboxamide
CID 95744361
2-(dimethylamino)-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-6-methylpyrimidine-4-carboxamide
CID 95744392
N-(2-aminoethyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide
CID 119384846
4-tert-butyl-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]cyclohexane-1-carboxamide
CID 49088558
N-(6-amino-3-pyridinyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide
CID 119516235
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(tetrazol-1-yl)benzamide
CID 95744341

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 3-tert-butyl-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1-methylpyrazole-5-carboxamide (CID 95744342) is 3-tert-butyl-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 3-tert-butyl-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 3-tert-butyl-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1-methylpyrazole-5-carboxamide is CN(C)CCn1cc(NC(=O)c2cc(C(C)(C)C)nn2C)cn1.
What is the InChIKey of 3-tert-butyl-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1-methylpyrazole-5-carboxamide?
The InChIKey is NPGDXOBAEILDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O/c1-16(2,3)14-9-13(21(6)19-14)15(23)18-12-10-17-22(11-12)8-7-20(4)5/h9-11H,7-8H2,1-6H3,(H,18,23).
What are the key properties of 3-tert-butyl-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1-methylpyrazole-5-carboxamide?
3-tert-butyl-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1-methylpyrazole-5-carboxamide has a molecular weight of 318.43 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 95744342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).